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5-CHLORO-4-O-DEMBARSAEURE-METHYLESTER
SpectraBase Compound ID BGqm8w6POWy
InChI InChI=1S/C19H19ClO7/c1-7-6-11(8(2)15(21)12(7)18(24)26-5)27-19(25)13-9(3)14(20)17(23)10(4)16(13)22/h6,21-23H,1-5H3
InChIKey JFNWTTZQPJYAII-UHFFFAOYSA-N
Mol Weight 394.81 g/mol
Molecular Formula C19H19ClO7
Exact Mass 394.081931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7x316chDtRt
Name 5-Chloro-4-O-demethyl-barbatic acid, methyl ester
CAS Registry Number 81050-83-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H19ClO7
InChI InChI=1S/C19H19ClO7/c1-7-6-11(8(2)15(21)12(7)18(24)26-5)27-19(25)13-9(3)14(20)17(23)10(4)16(13)22/h6,21-23H,1-5H3
InChIKey JFNWTTZQPJYAII-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference E.G. Sundholm, S. Huneck, Chemica Scripta 18, 233 (1981).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6